2-(2-propoxyphenyl)ethan-1-amine

• ChemBase ID: 308616
• Molecular Formular: C11H17NO
• Molecular Mass: 179.25878
• Monoisotopic Mass: 179.13101417
• SMILES: c1(c(CCN)cccc1)OCCC
• Canonical SMILES: CCCOc1ccccc1CCN
• InChI: InChI=1S/C11H17NO/c1-2-9-13-11-6-4-3-5-10(11)7-8-12/h3-6H,2,7-9,12H2,1H3
• InChIKey: RIOAQSIIMGNKRX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-propoxyphenyl)ethan-1-amine
• IUPAC Traditional name: 2-(2-propoxyphenyl)ethanamine
• Synonyms: 2-(2-propoxyphenyl)ethanamine

Database IDs

• CAS Number: 39515-69-0
• MDL Number: MFCD08449653

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.895922
• LogD (pH = 7.4): -0.12877247
• Log P: 2.1093345
• Molar Refractivity: 55.0222 cm^3
• Polarizability: 21.683123 Å^3
• Polar Surface Area: 35.25 Å^2